Information card for entry 7002451

Structure parameters

• Formula: C33 H48 Al N3 O2
• Calculated formula: C33 H48 Al N3 O2
• SMILES: [Al]12(Oc3c(cccc3C(C)C)C(C)C)(OC(=C)c3c(cc(cc3C)C)C)n3c(ccc3C[N]1(C)C)C[N]2(C)C
• Title of publication: Deprotonation and reductive addition reactions of hypervalent aluminium dihydride compounds containing substituted pyrrolyl ligands with phenols, ketones, and aldehydes
• Authors of publication: Chen, I-Chun; Ho, Shi-Mau; Chen, Ya-Chi; Lin, Che-Yu; Hu, Ching-Han; Tu, Cheng-Yi; Datta, Amitabha; Huang, Jui-Hsien; Lin, Chia-Her
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8631 - 8643
• a: 8.7168 ± 0.0003 Å
• b: 17.702 ± 0.0006 Å
• c: 20.9094 ± 0.0007 Å
• α: 90°
• β: 96.726 ± 0.002°
• γ: 90°
• Cell volume: 3204.22 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No